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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02406968

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.76
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.82
4NB4-NITROBENZOIC ACIDA,B3CHT0.82
NCR2-NITRO-P-CRESOLA,B1AHV0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.71
BE22-AMINOBENZOIC ACIDE,I1ZFP0.71
BE22-AMINOBENZOIC ACIDA,B2HU80.71
BE22-AMINOBENZOIC ACIDA,B1AN90.71
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.71
BE22-AMINOBENZOIC ACIDA,B2YR60.71
BE22-AMINOBENZOIC ACIDA,I1E8N0.71
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.71
BE22-AMINOBENZOIC ACIDA1C0I0.71
BE22-AMINOBENZOIC ACIDA,B2JB30.71
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.71
AAHH1KEL0.76
AAHB,H1FL60.76
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
PPNPARA-NITROPHENYLALANINEI1YTJ0.78
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.72
GAB3-AMINOBENZOIC ACIDA,B3GSB0.72
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.72
GAB3-AMINOBENZOIC ACIDA3FHB0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.78
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.72
PAB4-AMINOBENZOIC ACIDB2DZA0.72
PAB4-AMINOBENZOIC ACIDA1IUS0.72
PAB4-AMINOBENZOIC ACIDA1IUU0.72
PAB4-AMINOBENZOIC ACIDA1IUT0.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75